1-pyridin-3-ylpentan-1-imine

C10H14N2 — CID 19790330

IUPAC1-pyridin-3-ylpentan-1-imine
SMILES[H]/N=C(\CCCC)c1cccnc1
InChIInChI=1S/C10H14N2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h4-5,7-8,11H,2-3,6H2,1H3/b11-10+
InChIKeyGVQVUPACPJCFOF-ZHACJKMWSA-N
MW162.24 g/mol
LogP2.64
Rot. Bonds4

About 1-pyridin-3-ylpentan-1-imine

1-pyridin-3-ylpentan-1-imine (PubChem CID 19790330) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-pyridin-3-ylpentan-1-imine.

Molecular Properties

Compound Name1-pyridin-3-ylpentan-1-imine
PubChem CID19790330
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-pyridin-3-ylpentan-1-imine
SMILES[H]/N=C(\CCCC)c1cccnc1
InChIInChI=1S/C10H14N2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h4-5,7-8,11H,2-3,6H2,1H3/b11-10+
InChIKeyGVQVUPACPJCFOF-ZHACJKMWSA-N
XLogP2.64
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-pyridin-3-ylpentan-1-one
CID 12648543
propyl pyridine-3-carboximidate
CID 11819373
butyl 2-imino-2-pyridin-3-ylacetate
CID 139939287
1-pyridin-3-ylundecan-1-one
CID 19756112
1-pyridin-4-ylbutan-1-imine
CID 59020939
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
CID 45272531
butyl N-(pyridine-3-carboximidoyl)carbamate
CID 173285765
3-[1-chloro-3-(chloromethyl)oct-2-en-2-yl]pyridine
CID 67620865
dodecanoyl pyridine-3-carboxylate
CID 23450156
3-[(E)-1-phenylhex-1-enyl]pyridine
CID 67869388
(E)-2-bromo-1-pyridin-3-ylbut-2-en-1-imine
CID 118504147
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpentan-1-imine?
The IUPAC name of 1-pyridin-3-ylpentan-1-imine (CID 19790330) is 1-pyridin-3-ylpentan-1-imine.
What is the SMILES notation for 1-pyridin-3-ylpentan-1-imine?
The canonical SMILES for 1-pyridin-3-ylpentan-1-imine is [H]/N=C(\CCCC)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpentan-1-imine?
The InChIKey is GVQVUPACPJCFOF-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-6-10(11)9-5-4-7-12-8-9/h4-5,7-8,11H,2-3,6H2,1H3/b11-10+.
What are the key properties of 1-pyridin-3-ylpentan-1-imine?
1-pyridin-3-ylpentan-1-imine has a molecular weight of 162.24 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpentan-1-imine is sourced from PubChem (CID 19790330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).